N-[2-(2-hydroxyethoxy)ethyl]-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide

C23H28N2O7 — CID 67648342

IUPACN-[2-(2-hydroxyethoxy)ethyl]-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccccc2C(=O)NCCOCCO)cc(OC)c1OC
InChIInChI=1S/C23H28N2O7/c1-29-19-14-16(15-20(30-2)22(19)31-3)8-9-21(27)25-18-7-5-4-6-17(18)23(28)24-10-12-32-13-11-26/h4-9,14-15,26H,10-13H2,1-3H3,(H,24,28)(H,25,27)/b9-8+
InChIKeyRMCBWSJFLFOGEC-CMDGGOBGSA-N
MW444.48 g/mol
LogP2.10
Rot. Bonds12

About N-[2-(2-hydroxyethoxy)ethyl]-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide

N-[2-(2-hydroxyethoxy)ethyl]-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide (PubChem CID 67648342) has the molecular formula C23H28N2O7 and a molecular weight of 444.48 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
PubChem CID67648342
Molecular FormulaC23H28N2O7
Molecular Weight444.48 g/mol
Exact Mass444.19
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccccc2C(=O)NCCOCCO)cc(OC)c1OC
InChIInChI=1S/C23H28N2O7/c1-29-19-14-16(15-20(30-2)22(19)31-3)8-9-21(27)25-18-7-5-4-6-17(18)23(28)24-10-12-32-13-11-26/h4-9,14-15,26H,10-13H2,1-3H3,(H,24,28)(H,25,27)/b9-8+
InChIKeyRMCBWSJFLFOGEC-CMDGGOBGSA-N
XLogP2.10
TPSA115.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-(2-hydroxyethoxy)ethyl]-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-3-oxopropyl)-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 56516538
N-propan-2-yl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 6145912
(E)-N-(2-acetylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 8749614
N-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 7944497
N-(2-methoxyethyl)-2-[[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 6142313
N-(2-methoxyethyl)-2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzamide
CID 135289953
2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-(2-methoxyethyl)benzamide
CID 40715780
(E)-N-(2-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7929957
(E)-3-(3,4,5-trimethoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359894
(E)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26706811
2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-N-(2-methoxyethyl)benzamide
CID 34762755
2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-prop-2-ynylbenzamide
CID 74334393

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide (CID 67648342) is N-[2-(2-hydroxyethoxy)ethyl]-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide is COc1cc(/C=C/C(=O)Nc2ccccc2C(=O)NCCOCCO)cc(OC)c1OC.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is RMCBWSJFLFOGEC-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H28N2O7/c1-29-19-14-16(15-20(30-2)22(19)31-3)8-9-21(27)25-18-7-5-4-6-17(18)23(28)24-10-12-32-13-11-26/h4-9,14-15,26H,10-13H2,1-3H3,(H,24,28)(H,25,27)/b9-8+.
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide?
N-[2-(2-hydroxyethoxy)ethyl]-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 444.48 g/mol, XLogP of 2.10, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 67648342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).